COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1     -17.541  -3.116  -1.518  1.00  0.00           C  
HETATM    2  C   UNL     1     -16.757  -2.083  -2.331  1.00  0.00           C  
HETATM    3  C   UNL     1     -15.448  -1.791  -1.643  1.00  0.00           C  
HETATM    4  O   UNL     1     -15.170  -2.354  -0.605  1.00  0.00           O  
HETATM    5  S   UNL     1     -14.355  -0.666  -2.328  1.00  0.00           S  
HETATM    6  C   UNL     1     -13.024  -0.737  -1.103  1.00  0.00           C  
HETATM    7  C   UNL     1     -11.900   0.216  -1.515  1.00  0.00           C  
HETATM    8  N   UNL     1     -10.823   0.159  -0.524  1.00  0.00           N  
HETATM    9  C   UNL     1      -9.721   0.919  -0.681  1.00  0.00           C  
HETATM   10  O   UNL     1      -9.622   1.651  -1.643  1.00  0.00           O  
HETATM   11  C   UNL     1      -8.613   0.860   0.339  1.00  0.00           C  
HETATM   12  C   UNL     1      -7.490   1.813  -0.073  1.00  0.00           C  
HETATM   13  N   UNL     1      -6.412   1.756   0.918  1.00  0.00           N  
HETATM   14  C   UNL     1      -5.311   2.517   0.761  1.00  0.00           C  
HETATM   15  O   UNL     1      -5.170   3.180  -0.245  1.00  0.00           O  
HETATM   16  C   UNL     1      -4.255   2.544   1.835  1.00  0.00           C  
HETATM   17  O   UNL     1      -4.719   1.822   2.978  1.00  0.00           O  
HETATM   18  C   UNL     1      -2.974   1.894   1.308  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.291   0.491   0.787  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.402   2.743   0.171  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.947   1.798   2.438  1.00  0.00           C  
HETATM   22  O   UNL     1      -0.751   1.192   1.945  1.00  0.00           O  
HETATM   23  P   UNL     1       0.544   0.932   2.866  1.00  0.00           P  
HETATM   24  O   UNL     1       1.160   2.344   3.336  1.00  0.00           O  
HETATM   25  O   UNL     1       0.154   0.144   4.056  1.00  0.00           O  
HETATM   26  O   UNL     1       1.648   0.119   2.022  1.00  0.00           O  
HETATM   27  O   UNL     1       2.430  -2.252   2.846  1.00  0.00           O  
HETATM   28  P   UNL     1       2.923  -0.779   2.422  1.00  0.00           P  
HETATM   29  O   UNL     1       3.633  -0.150   3.558  1.00  0.00           O  
HETATM   30  O   UNL     1       3.918  -0.889   1.161  1.00  0.00           O  
HETATM   31  C   UNL     1       5.192  -1.534   1.229  1.00  0.00           C  
HETATM   32  C   UNL     1       5.875  -1.459  -0.138  1.00  0.00           C  
HETATM   33  O   UNL     1       6.195  -0.093  -0.450  1.00  0.00           O  
HETATM   34  C   UNL     1       7.201  -2.244  -0.105  1.00  0.00           C  
HETATM   35  O   UNL     1       7.179  -3.302  -1.066  1.00  0.00           O  
HETATM   36  P   UNL     1       7.343  -4.853  -0.666  1.00  0.00           P  
HETATM   37  O   UNL     1       7.402  -5.748  -2.003  1.00  0.00           O  
HETATM   38  O   UNL     1       8.593  -5.035   0.105  1.00  0.00           O  
HETATM   39  O   UNL     1       6.087  -5.311   0.231  1.00  0.00           O  
HETATM   40  C   UNL     1       8.274  -1.193  -0.479  1.00  0.00           C  
HETATM   41  O   UNL     1       9.247  -1.751  -1.364  1.00  0.00           O  
HETATM   42  C   UNL     1       7.430  -0.110  -1.198  1.00  0.00           C  
HETATM   43  N   UNL     1       8.095   1.194  -1.126  1.00  0.00           N1+
HETATM   44  C   UNL     1       8.480   1.804  -0.013  1.00  0.00           C  
HETATM   45  N   UNL     1       9.046   2.958  -0.296  1.00  0.00           N  
HETATM   46  C   UNL     1       9.035   3.117  -1.630  1.00  0.00           C  
HETATM   47  C   UNL     1       8.417   1.959  -2.167  1.00  0.00           C  
HETATM   48  N   UNL     1       8.276   1.848  -3.501  1.00  0.00           N  
HETATM   49  C   UNL     1       8.700   2.784  -4.300  1.00  0.00           C  
HETATM   50  N   UNL     1       9.302   3.912  -3.842  1.00  0.00           N  
HETATM   51  C   UNL     1       9.477   4.109  -2.512  1.00  0.00           C  
HETATM   52  N   UNL     1      10.083   5.242  -2.046  1.00  0.00           N  
HETATM   53  H   UNL     1     -17.735  -2.722  -0.521  1.00  0.00           H  
HETATM   54  H   UNL     1     -18.488  -3.327  -2.015  1.00  0.00           H  
HETATM   55  H   UNL     1     -16.959  -4.034  -1.439  1.00  0.00           H  
HETATM   56  H   UNL     1     -16.563  -2.478  -3.329  1.00  0.00           H  
HETATM   57  H   UNL     1     -17.339  -1.165  -2.410  1.00  0.00           H  
HETATM   58  H   UNL     1     -13.411  -0.441  -0.128  1.00  0.00           H  
HETATM   59  H   UNL     1     -12.636  -1.754  -1.047  1.00  0.00           H  
HETATM   60  H   UNL     1     -11.513  -0.079  -2.490  1.00  0.00           H  
HETATM   61  H   UNL     1     -12.288   1.233  -1.571  1.00  0.00           H  
HETATM   62  H   UNL     1     -10.902  -0.427   0.245  1.00  0.00           H  
HETATM   63  H   UNL     1      -9.001   1.156   1.314  1.00  0.00           H  
HETATM   64  H   UNL     1      -8.225  -0.156   0.395  1.00  0.00           H  
HETATM   65  H   UNL     1      -7.102   1.518  -1.048  1.00  0.00           H  
HETATM   66  H   UNL     1      -7.878   2.830  -0.130  1.00  0.00           H  
HETATM   67  H   UNL     1      -6.492   1.171   1.687  1.00  0.00           H  
HETATM   68  H   UNL     1      -4.049   3.577   2.117  1.00  0.00           H  
HETATM   69  H   UNL     1      -4.922   0.894   2.801  1.00  0.00           H  
HETATM   70  H   UNL     1      -4.022   0.559  -0.019  1.00  0.00           H  
HETATM   71  H   UNL     1      -2.378   0.028   0.411  1.00  0.00           H  
HETATM   72  H   UNL     1      -3.698  -0.114   1.597  1.00  0.00           H  
HETATM   73  H   UNL     1      -2.283   3.772   0.510  1.00  0.00           H  
HETATM   74  H   UNL     1      -1.433   2.345  -0.129  1.00  0.00           H  
HETATM   75  H   UNL     1      -3.084   2.718  -0.680  1.00  0.00           H  
HETATM   76  H   UNL     1      -1.721   2.798   2.809  1.00  0.00           H  
HETATM   77  H   UNL     1      -2.355   1.193   3.248  1.00  0.00           H  
HETATM   78  H   UNL     1       1.438   2.914   2.606  1.00  0.00           H  
HETATM   79  H   UNL     1       1.956  -2.724   2.149  1.00  0.00           H  
HETATM   80  H   UNL     1       5.813  -1.036   1.974  1.00  0.00           H  
HETATM   81  H   UNL     1       5.056  -2.579   1.510  1.00  0.00           H  
HETATM   82  H   UNL     1       5.217  -1.870  -0.904  1.00  0.00           H  
HETATM   83  H   UNL     1       7.384  -2.641   0.894  1.00  0.00           H  
HETATM   84  H   UNL     1       7.500  -6.696  -1.838  1.00  0.00           H  
HETATM   85  H   UNL     1       5.232  -5.219  -0.212  1.00  0.00           H  
HETATM   86  H   UNL     1       8.749  -0.788   0.413  1.00  0.00           H  
HETATM   87  H   UNL     1       9.941  -1.131  -1.628  1.00  0.00           H  
HETATM   88  H   UNL     1       7.246  -0.391  -2.235  1.00  0.00           H  
HETATM   89  H   UNL     1       8.349   1.409   0.983  1.00  0.00           H  
HETATM   90  H   UNL     1       8.570   2.658  -5.365  1.00  0.00           H  
HETATM   91  H   UNL     1       9.604   4.585  -4.471  1.00  0.00           H  
HETATM   92  H   UNL     1      10.212   5.366  -1.092  1.00  0.00           H  
HETATM   93  H   UNL     1      10.385   5.922  -2.668  1.00  0.00           H  
CONECT    1    2   53   54   55                                       
CONECT    2    1    3   56   57                                       
CONECT    3    2    4    4    5                                       
CONECT    4    3    3                                                 
CONECT    5    3    6                                                 
CONECT    6    5    7   58   59                                       
CONECT    7    6    8   60   61                                       
CONECT    8    7    9   62                                            
CONECT    9    8   10   10   11                                       
CONECT   10    9    9                                                 
CONECT   11    9   12   63   64                                       
CONECT   12   11   13   65   66                                       
CONECT   13   12   14   67                                            
CONECT   14   13   15   15   16                                       
CONECT   15   14   14                                                 
CONECT   16   14   17   18   68                                       
CONECT   17   16   69                                                 
CONECT   18   16   19   20   21                                       
CONECT   19   18   70   71   72                                       
CONECT   20   18   73   74   75                                       
CONECT   21   18   22   76   77                                       
CONECT   22   21   23                                                 
CONECT   23   22   24   25   25                                       
CONECT   23   26                                                      
CONECT   24   23   78                                                 
CONECT   25   23   23                                                 
CONECT   26   23   28                                                 
CONECT   27   28   79                                                 
CONECT   28   26   27   29   29                                       
CONECT   28   30                                                      
CONECT   29   28   28                                                 
CONECT   30   28   31                                                 
CONECT   31   30   32   80   81                                       
CONECT   32   31   33   34   82                                       
CONECT   33   32   42                                                 
CONECT   34   32   35   40   83                                       
CONECT   35   34   36                                                 
CONECT   36   35   37   38   38                                       
CONECT   36   39                                                      
CONECT   37   36   84                                                 
CONECT   38   36   36                                                 
CONECT   39   36   85                                                 
CONECT   40   34   41   42   86                                       
CONECT   41   40   87                                                 
CONECT   42   33   40   43   88                                       
CONECT   43   42   44   47   47                                       
CONECT   44   43   45   45   89                                       
CONECT   45   44   44   46                                            
CONECT   46   45   47   51   51                                       
CONECT   47   43   43   46   48                                       
CONECT   48   47   49   49                                            
CONECT   49   48   48   50   90                                       
CONECT   50   49   51   91                                            
CONECT   51   46   46   50   52                                       
CONECT   52   51   92   93                                            
CONECT   53    1                                                      
CONECT   54    1                                                      
CONECT   55    1                                                      
CONECT   56    2                                                      
CONECT   57    2                                                      
CONECT   58    6                                                      
CONECT   59    6                                                      
CONECT   60    7                                                      
CONECT   61    7                                                      
CONECT   62    8                                                      
CONECT   63   11                                                      
CONECT   64   11                                                      
CONECT   65   12                                                      
CONECT   66   12                                                      
CONECT   67   13                                                      
CONECT   68   16                                                      
CONECT   69   17                                                      
CONECT   70   19                                                      
CONECT   71   19                                                      
CONECT   72   19                                                      
CONECT   73   20                                                      
CONECT   74   20                                                      
CONECT   75   20                                                      
CONECT   76   21                                                      
CONECT   77   21                                                      
CONECT   78   24                                                      
CONECT   79   27                                                      
CONECT   80   31                                                      
CONECT   81   31                                                      
CONECT   82   32                                                      
CONECT   83   34                                                      
CONECT   84   37                                                      
CONECT   85   39                                                      
CONECT   86   40                                                      
CONECT   87   41                                                      
CONECT   88   42                                                      
CONECT   89   44                                                      
CONECT   90   49                                                      
CONECT   91   50                                                      
CONECT   92   52                                                      
CONECT   93   52                                                      
MASTER        0    0    0    0    0    0    0    0   93    0   93    0
END
